mp-18150-2/K3LuP2O8/harm

Equation of state

../../_images/fig_bm6894.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr13796.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18178.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13796.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213424.png

(a) Force constants w.r.t atomic distance

Summary

../../_images/fig_times23128.png

(a) Computation time